%chk=000179109.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179109

0 1
S -0.650775 1.745652 -0.632978
O 1.624043 0.407856 -0.521943
O 4.771675 1.663916 0.472373
O -2.426622 -2.667134 0.674178
O 4.663405 -0.157755 1.778044
N -1.726079 -0.535342 0.059136
N -0.374544 -0.818641 -0.005599
N -3.323416 1.271904 -0.240726
N 4.695828 -1.383936 -1.066888
C 3.868712 -0.268170 -0.569464
C 2.453266 -0.799401 -0.292437
C -2.096972 0.798931 -0.244292
C 0.308587 0.255683 -0.349054
C -2.759571 -1.541656 0.420945
C -4.348224 0.363634 0.095543
C -4.080584 -0.945387 0.402872
C 4.448685 0.355528 0.708545
C -5.716722 0.944661 0.086168
H 3.802561 0.533097 -1.368082
H 2.144972 -1.575419 -1.021547
H 2.287414 -1.151640 0.741264
H -4.881904 -1.641346 0.662268
H 4.888708 -2.070042 -0.339308
H 5.580768 -1.055104 -1.442876
H -5.794064 1.790725 0.791360
H -6.493754 0.215200 0.351132
H -5.966422 1.357491 -0.906965
H 5.148531 2.126197 1.272131


%chk=000179109-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179109

0 1
S -0.672711 1.982794 -0.396915
O 1.649155 0.543034 -0.534570
O 5.137843 1.593603 0.189798
O -2.295826 -2.719394 0.209085
O 4.011954 0.352021 1.805502
N -1.715265 -0.430092 -0.061577
N -0.342389 -0.701012 -0.194925
N -3.373416 1.326495 -0.032313
N 4.702580 -1.582074 -0.597031
C 3.900638 -0.349822 -0.574970
C 2.423790 -0.742570 -0.469207
C -2.134417 0.904165 -0.134681
C 0.308957 0.433844 -0.369738
C -2.676492 -1.524757 0.146213
C -4.355777 0.343700 0.169075
C -4.034696 -1.008443 0.255303
C 4.304554 0.551544 0.605649
C -5.765242 0.865148 0.282489
H 4.068835 0.202735 -1.512841
H 2.129751 -1.385798 -1.313984
H 2.189879 -1.241408 0.488238
H -4.812477 -1.759225 0.412410
H 4.716532 -2.107843 0.281427
H 5.616803 -1.502921 -1.045736
H -5.838814 1.580947 1.121127
H -6.489392 0.050456 0.440983
H -6.040294 1.418436 -0.633708
H 5.433439 2.125939 0.978696


